2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid

C19H33NO2 — CID 134308641

IUPAC2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid
SMILESNC1CCC(C2CCC([C@@H]3CCC(CC(=O)O)C3)CC2)CC1
InChIInChI=1S/C19H33NO2/c20-18-9-7-15(8-10-18)14-3-5-16(6-4-14)17-2-1-13(11-17)12-19(21)22/h13-18H,1-12,20H2,(H,21,22)/t13?,14?,15?,16?,17-,18?/m1/s1
InChIKeyXYOXFXOZYNZQPT-SVXFNXITSA-N
MW307.48 g/mol
LogP4.20
Rot. Bonds4

About 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid

2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid (PubChem CID 134308641) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid
PubChem CID134308641
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid
SMILESNC1CCC(C2CCC([C@@H]3CCC(CC(=O)O)C3)CC2)CC1
InChIInChI=1S/C19H33NO2/c20-18-9-7-15(8-10-18)14-3-5-16(6-4-14)17-2-1-13(11-17)12-19(21)22/h13-18H,1-12,20H2,(H,21,22)/t13?,14?,15?,16?,17-,18?/m1/s1
InChIKeyXYOXFXOZYNZQPT-SVXFNXITSA-N
XLogP4.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R,3R)-3-aminocyclopentyl]acetic acid;hydrochloride
CID 170154863
2-(3,4-diaminocyclohexyl)acetic acid
CID 77276745
2-[3-(hydroxymethyl)cyclopentyl]acetic acid
CID 105430907
2-[(1S,3R)-3-fluorocyclopentyl]acetic acid
CID 105428900
(1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid
CID 146210075
2-[(1R,3R)-3-fluorocyclopentyl]acetic acid
CID 135389382
2-(2-prop-2-enoyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl)acetic acid
CID 139015564
2-[(2S,4S)-2-aminooxan-4-yl]acetic acid
CID 129391535
carbonic acid;cyclopropanamine
CID 70000861
5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid
CID 90477996
3-bicyclo[4.2.0]octanylmethanamine
CID 131991304
2-[3-(2-aminoethyl)cyclohexyl]acetic acid
CID 68626637

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid (CID 134308641) is 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid is NC1CCC(C2CCC([C@@H]3CCC(CC(=O)O)C3)CC2)CC1.
What is the InChIKey of 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid?
The InChIKey is XYOXFXOZYNZQPT-SVXFNXITSA-N. The full InChI is InChI=1S/C19H33NO2/c20-18-9-7-15(8-10-18)14-3-5-16(6-4-14)17-2-1-13(11-17)12-19(21)22/h13-18H,1-12,20H2,(H,21,22)/t13?,14?,15?,16?,17-,18?/m1/s1.
What are the key properties of 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid?
2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid has a molecular weight of 307.48 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid is sourced from PubChem (CID 134308641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).